N-(4-naphthalen-1-ylcyclohexa-1,3-dien-1-yl)-4-phenyl-N-[4-(6-phenyl-8,9-dihydrodibenzofuran-3-yl)phenyl]aniline

C52H39NO — CID 129311283

IUPACN-(4-naphthalen-1-ylcyclohexa-1,3-dien-1-yl)-4-phenyl-N-[4-(6-phenyl-8,9-dihydrodibenzofuran-3-yl)phenyl]aniline
SMILESC1=C(c2ccccc2)c2oc3cc(-c4ccc(N(C5=CC=C(c6cccc7ccccc67)CC5)c5ccc(-c6ccccc6)cc5)cc4)ccc3c2CC1
InChIInChI=1S/C52H39NO/c1-3-11-36(12-4-1)37-21-28-43(29-22-37)53(45-32-25-41(26-33-45)47-18-9-16-39-15-7-8-17-46(39)47)44-30-23-38(24-31-44)42-27-34-49-50-20-10-19-48(40-13-5-2-6-14-40)52(50)54-51(49)35-42/h1-9,11-19,21-25,27-32,34-35H,10,20,26,33H2
InChIKeyJKXRWMRHUXIMHY-UHFFFAOYSA-N
MW693.89 g/mol
LogP14.20
Rot. Bonds7

About N-(4-naphthalen-1-ylcyclohexa-1,3-dien-1-yl)-4-phenyl-N-[4-(6-phenyl-8,9-dihydrodibenzofuran-3-yl)phenyl]aniline

N-(4-naphthalen-1-ylcyclohexa-1,3-dien-1-yl)-4-phenyl-N-[4-(6-phenyl-8,9-dihydrodibenzofuran-3-yl)phenyl]aniline (PubChem CID 129311283) has the molecular formula C52H39NO and a molecular weight of 693.89 g/mol. Its IUPAC name is N-(4-naphthalen-1-ylcyclohexa-1,3-dien-1-yl)-4-phenyl-N-[4-(6-phenyl-8,9-dihydrodibenzofuran-3-yl)phenyl]aniline.

Molecular Properties

Compound NameN-(4-naphthalen-1-ylcyclohexa-1,3-dien-1-yl)-4-phenyl-N-[4-(6-phenyl-8,9-dihydrodibenzofuran-3-yl)phenyl]aniline
PubChem CID129311283
Molecular FormulaC52H39NO
Molecular Weight693.89 g/mol
Exact Mass693.30
IUPAC NameN-(4-naphthalen-1-ylcyclohexa-1,3-dien-1-yl)-4-phenyl-N-[4-(6-phenyl-8,9-dihydrodibenzofuran-3-yl)phenyl]aniline
SMILESC1=C(c2ccccc2)c2oc3cc(-c4ccc(N(C5=CC=C(c6cccc7ccccc67)CC5)c5ccc(-c6ccccc6)cc5)cc4)ccc3c2CC1
InChIInChI=1S/C52H39NO/c1-3-11-36(12-4-1)37-21-28-43(29-22-37)53(45-32-25-41(26-33-45)47-18-9-16-39-15-7-8-17-46(39)47)44-30-23-38(24-31-44)42-27-34-49-50-20-10-19-48(40-13-5-2-6-14-40)52(50)54-51(49)35-42/h1-9,11-19,21-25,27-32,34-35H,10,20,26,33H2
InChIKeyJKXRWMRHUXIMHY-UHFFFAOYSA-N
XLogP14.20
TPSA16.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms54
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500693.89
LogP ≤ 514.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-(4-naphthalen-1-ylcyclohexa-1,3-dien-1-yl)-N-[4-[4-(N-(4-naphthalen-1-ylphenyl)-4-phenylanilino)phenyl]phenyl]-4-phenylaniline
CID 143462430
9,10-dinaphthalen-1-yl-2-N,6-N-diphenyl-6-N-(4-phenylcyclohexa-1,3-dien-1-yl)-2-N-(4-phenylphenyl)anthracene-2,6-diamine
CID 89151841
3-dibenzofuran-1-yl-N-(4-naphtho[2,1-b][1]benzofuran-2-ylphenyl)-N-(4-phenylcyclohexa-1,3-dien-1-yl)aniline
CID 170238372
4-phenyl-N-(4-phenylcyclohexa-1,3-dien-1-yl)-N-[4-[3-(4-phenyldibenzofuran-2-yl)phenyl]phenyl]aniline
CID 129311258
N-[4-(8,9-dihydrodibenzofuran-3-yl)phenyl]-N-(5-naphthalen-1-yl-2-phenylphenyl)dibenzofuran-1-amine
CID 167234370
N-(4-dibenzofuran-3-ylphenyl)-4-(3-naphthalen-1-ylphenyl)-N-[4-(3-naphthalen-1-ylphenyl)phenyl]aniline;N-(4-dibenzofuran-3-ylphenyl)-4-(4-naphthalen-1-ylphenyl)-N-[4-(4-naphthalen-1-ylphenyl)phenyl]aniline
CID 159589004
N-(4-dibenzofuran-4-ylcyclohexa-1,3-dien-1-yl)-N-(4-naphthalen-1-ylphenyl)-4-[4-(4-phenylphenyl)cyclohexa-1,5-dien-1-yl]aniline
CID 144582985
2-naphthalen-1-yl-4-phenyl-6-[7-(4-phenylphenyl)dibenzofuran-3-yl]-1,3,5-triazine
CID 171597325
7-phenyl-N-[4-(5-phenylnaphthalen-2-yl)phenyl]-N-(4-phenylphenyl)dibenzofuran-3-amine
CID 139352672
(6Z)-8-ethyl-6,9-diphenyl-3-(19-thiapentacyclo[14.2.1.05,18.06,11.012,17]nonadeca-1,3,5,7,9,11,13,15,17-nonaen-8-yl)-11,12-dihydro-8H-cyclonona[b][1]benzofuran
CID 174021934
N-(4-naphthalen-1-ylphenyl)-6-phenyl-N-[4-(8-phenylnaphthalen-2-yl)phenyl]dibenzofuran-3-amine
CID 169302137
N-phenyl-4-[4-(N-(4-phenylphenyl)anilino)cyclohexa-1,3-dien-1-yl]-N-[4-[4-[4-(N-[4-[4-(N-(4-phenylphenyl)anilino)phenyl]phenyl]anilino)phenyl]phenyl]phenyl]aniline
CID 156569222

Frequently Asked Questions

What is the IUPAC name of N-(4-naphthalen-1-ylcyclohexa-1,3-dien-1-yl)-4-phenyl-N-[4-(6-phenyl-8,9-dihydrodibenzofuran-3-yl)phenyl]aniline?
The IUPAC name of N-(4-naphthalen-1-ylcyclohexa-1,3-dien-1-yl)-4-phenyl-N-[4-(6-phenyl-8,9-dihydrodibenzofuran-3-yl)phenyl]aniline (CID 129311283) is N-(4-naphthalen-1-ylcyclohexa-1,3-dien-1-yl)-4-phenyl-N-[4-(6-phenyl-8,9-dihydrodibenzofuran-3-yl)phenyl]aniline.
What is the SMILES notation for N-(4-naphthalen-1-ylcyclohexa-1,3-dien-1-yl)-4-phenyl-N-[4-(6-phenyl-8,9-dihydrodibenzofuran-3-yl)phenyl]aniline?
The canonical SMILES for N-(4-naphthalen-1-ylcyclohexa-1,3-dien-1-yl)-4-phenyl-N-[4-(6-phenyl-8,9-dihydrodibenzofuran-3-yl)phenyl]aniline is C1=C(c2ccccc2)c2oc3cc(-c4ccc(N(C5=CC=C(c6cccc7ccccc67)CC5)c5ccc(-c6ccccc6)cc5)cc4)ccc3c2CC1.
What is the InChIKey of N-(4-naphthalen-1-ylcyclohexa-1,3-dien-1-yl)-4-phenyl-N-[4-(6-phenyl-8,9-dihydrodibenzofuran-3-yl)phenyl]aniline?
The InChIKey is JKXRWMRHUXIMHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H39NO/c1-3-11-36(12-4-1)37-21-28-43(29-22-37)53(45-32-25-41(26-33-45)47-18-9-16-39-15-7-8-17-46(39)47)44-30-23-38(24-31-44)42-27-34-49-50-20-10-19-48(40-13-5-2-6-14-40)52(50)54-51(49)35-42/h1-9,11-19,21-25,27-32,34-35H,10,20,26,33H2.
What are the key properties of N-(4-naphthalen-1-ylcyclohexa-1,3-dien-1-yl)-4-phenyl-N-[4-(6-phenyl-8,9-dihydrodibenzofuran-3-yl)phenyl]aniline?
N-(4-naphthalen-1-ylcyclohexa-1,3-dien-1-yl)-4-phenyl-N-[4-(6-phenyl-8,9-dihydrodibenzofuran-3-yl)phenyl]aniline has a molecular weight of 693.89 g/mol, XLogP of 14.20, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-naphthalen-1-ylcyclohexa-1,3-dien-1-yl)-4-phenyl-N-[4-(6-phenyl-8,9-dihydrodibenzofuran-3-yl)phenyl]aniline is sourced from PubChem (CID 129311283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).